4LAG

Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines

Summary for 4LAG

Entry DOI	10.2210/pdb4lag/pdb
Related	4LAE 4LAH 4LEK
Descriptor	Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-chloro-7-[5,6-dimethyl-2-(1,3-thiazol-2-yl)-1H-benzimidazol-1-yl]quinazoline-2,4-diamine, ... (4 entities in total)
Functional Keywords	protein-inhibitor complex, folate, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Staphylococcus aureus
Total number of polymer chains	1
Total formula weight	20512.40
Authors	Hilgers, M.T. (deposition date: 2013-06-19, release date: 2014-02-19, Last modification date: 2024-02-28)
Primary citation	Lam, T.,Hilgers, M.T.,Cunningham, M.L.,Kwan, B.P.,Nelson, K.J.,Brown-Driver, V.,Ong, V.,Trzoss, M.,Hough, G.,Shaw, K.J.,Finn, J. Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines. J.Med.Chem., 57:651-668, 2014 Cited by PubMed: 24428639 DOI: 10.1021/jm401204g PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation